Beta-Boswellic acid

C30H48O3CAS 631-69-6456.71 g/mol

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OHOOH
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C30H48O3
Molar mass
456.71 g/mol
Exact mass
456.3603 Da
Melting point
238 °C
logP
7.09Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, R, R, S, R, R, R, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
631-69-6
SMILES
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12
InChIKey
NBGQZFQREPIKMG-PONOSELZSA-N
InChI
InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1

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Names and synonyms

5 names
  • Urs-12-en-23-oic acid, 3-hydroxy-, (3α,4β)-
  • Urs-12-en-24-oic acid, 3α-hydroxy-
  • β-Boswellic acid
  • (3α,4β)-3-Hydroxyurs-12-en-23-oic acid
  • 3α-Hydroxyurs-12-en-24-oic acid

Work with Beta-Boswellic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Keto-β-boswellic acid17019-92-078 % similar Acetyl-β-boswellic acid5968-70-777 % similar Amyrin638-95-974 % similar Acetyl-11-keto-beta-boswellic acid67416-61-960 % similar Roburic acid6812-81-359 % similar Ursonic acid6246-46-458 % similar Corosolic acid4547-24-456 % similar O-Acetylursolic acid7372-30-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nandrolone laurate26490-31-3 Alpha-Boswellic acid471-66-9 Betulinic acid472-15-1 Oleanolic acid508-02-1 Testosterone undecylate5949-44-0 Ursolic acid77-52-1

Elsewhere

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